N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide

C22H23N3O2 — CID 113008728

IUPACN-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)Nc3ccccc3C#N)CC2)c1
InChIInChI=1S/C22H23N3O2/c1-16-5-4-6-17(13-16)14-21(26)25-11-9-18(10-12-25)22(27)24-20-8-3-2-7-19(20)15-23/h2-8,13,18H,9-12,14H2,1H3,(H,24,27)
InChIKeyUAJUIWWQLCPSIQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.29
Rot. Bonds4

About N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide

N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide (PubChem CID 113008728) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
PubChem CID113008728
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)Nc3ccccc3C#N)CC2)c1
InChIInChI=1S/C22H23N3O2/c1-16-5-4-6-17(13-16)14-21(26)25-11-9-18(10-12-25)22(27)24-20-8-3-2-7-19(20)15-23/h2-8,13,18H,9-12,14H2,1H3,(H,24,27)
InChIKeyUAJUIWWQLCPSIQ-UHFFFAOYSA-N
XLogP3.29
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007035
1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007640
1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide
CID 113008689
N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113008709
methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754248
N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006994
N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673965
N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005452
N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106907
N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223693
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide (CID 113008728) is N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide is Cc1cccc(CC(=O)N2CCC(C(=O)Nc3ccccc3C#N)CC2)c1.
What is the InChIKey of N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is UAJUIWWQLCPSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-5-4-6-17(13-16)14-21(26)25-11-9-18(10-12-25)22(27)24-20-8-3-2-7-19(20)15-23/h2-8,13,18H,9-12,14H2,1H3,(H,24,27).
What are the key properties of N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 113008728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).